6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carbonyl chloride

C15H12ClN3O — CID 10708297

IUPAC6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carbonyl chloride
SMILESCc1ccc2nc(-c3nccn3C)cc(C(=O)Cl)c2c1
InChIInChI=1S/C15H12ClN3O/c1-9-3-4-12-10(7-9)11(14(16)20)8-13(18-12)15-17-5-6-19(15)2/h3-8H,1-2H3
InChIKeyYPEVQVABMQZJLC-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.32
Rot. Bonds2

About 6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carbonyl chloride

6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carbonyl chloride (PubChem CID 10708297) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carbonyl chloride.

Molecular Properties

Compound Name6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carbonyl chloride
PubChem CID10708297
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carbonyl chloride
SMILESCc1ccc2nc(-c3nccn3C)cc(C(=O)Cl)c2c1
InChIInChI=1S/C15H12ClN3O/c1-9-3-4-12-10(7-9)11(14(16)20)8-13(18-12)15-17-5-6-19(15)2/h3-8H,1-2H3
InChIKeyYPEVQVABMQZJLC-UHFFFAOYSA-N
XLogP3.32
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carbonyl chloride?
The IUPAC name of 6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carbonyl chloride (CID 10708297) is 6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carbonyl chloride.
What is the SMILES notation for 6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carbonyl chloride?
The canonical SMILES for 6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carbonyl chloride is Cc1ccc2nc(-c3nccn3C)cc(C(=O)Cl)c2c1.
What is the InChIKey of 6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carbonyl chloride?
The InChIKey is YPEVQVABMQZJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-3-4-12-10(7-9)11(14(16)20)8-13(18-12)15-17-5-6-19(15)2/h3-8H,1-2H3.
What are the key properties of 6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carbonyl chloride?
6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carbonyl chloride has a molecular weight of 285.73 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carbonyl chloride is sourced from PubChem (CID 10708297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).